N-hydroxy-4-[(Z)-4-naphthalen-1-yloxy-2-[(pyridin-3-ylamino)methyl]but-1-enyl]benzamide

C27H25N3O3 — CID 11633550

About N-hydroxy-4-[(Z)-4-naphthalen-1-yloxy-2-[(pyridin-3-ylamino)methyl]but-1-enyl]benzamide

N-hydroxy-4-[(Z)-4-naphthalen-1-yloxy-2-[(pyridin-3-ylamino)methyl]but-1-enyl]benzamide (PubChem CID 11633550) has the molecular formula C27H25N3O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-hydroxy-4-[(Z)-4-naphthalen-1-yloxy-2-[(pyridin-3-ylamino)methyl]but-1-enyl]benzamide.

Molecular Properties

• Compound Name: N-hydroxy-4-[(Z)-4-naphthalen-1-yloxy-2-[(pyridin-3-ylamino)methyl]but-1-enyl]benzamide
• PubChem CID: 11633550
• Molecular Formula: C27H25N3O3
• Molecular Weight: 439.52 g/mol
• Exact Mass: 439.19
• IUPAC Name: N-hydroxy-4-[(Z)-4-naphthalen-1-yloxy-2-[(pyridin-3-ylamino)methyl]but-1-enyl]benzamide
• SMILES: O=C(NO)c1ccc(/C=C(/CCOc2cccc3ccccc23)CNc2cccnc2)cc1
• InChI: InChI=1S/C27H25N3O3/c31-27(30-32)23-12-10-20(11-13-23)17-21(18-29-24-7-4-15-28-19-24)14-16-33-26-9-3-6-22-5-1-2-8-25(22)26/h1-13,15,17,19,29,32H,14,16,18H2,(H,30,31)/b21-17-
• InChIKey: GXYGTVCYCPZBQE-FXBPSFAMSA-N
• XLogP: 5.32
• TPSA: 83.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.52
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(Z)-4-naphthalen-1-yloxy-2-[(pyridin-3-ylamino)methyl]but-1-enyl]benzamide?

The IUPAC name of N-hydroxy-4-[(Z)-4-naphthalen-1-yloxy-2-[(pyridin-3-ylamino)methyl]but-1-enyl]benzamide (CID 11633550) is N-hydroxy-4-[(Z)-4-naphthalen-1-yloxy-2-[(pyridin-3-ylamino)methyl]but-1-enyl]benzamide.

What is the SMILES notation for N-hydroxy-4-[(Z)-4-naphthalen-1-yloxy-2-[(pyridin-3-ylamino)methyl]but-1-enyl]benzamide?

The canonical SMILES for N-hydroxy-4-[(Z)-4-naphthalen-1-yloxy-2-[(pyridin-3-ylamino)methyl]but-1-enyl]benzamide is O=C(NO)c1ccc(/C=C(/CCOc2cccc3ccccc23)CNc2cccnc2)cc1.

What is the InChIKey of N-hydroxy-4-[(Z)-4-naphthalen-1-yloxy-2-[(pyridin-3-ylamino)methyl]but-1-enyl]benzamide?

The InChIKey is GXYGTVCYCPZBQE-FXBPSFAMSA-N. The full InChI is InChI=1S/C27H25N3O3/c31-27(30-32)23-12-10-20(11-13-23)17-21(18-29-24-7-4-15-28-19-24)14-16-33-26-9-3-6-22-5-1-2-8-25(22)26/h1-13,15,17,19,29,32H,14,16,18H2,(H,30,31)/b21-17-.

What are the key properties of N-hydroxy-4-[(Z)-4-naphthalen-1-yloxy-2-[(pyridin-3-ylamino)methyl]but-1-enyl]benzamide?

N-hydroxy-4-[(Z)-4-naphthalen-1-yloxy-2-[(pyridin-3-ylamino)methyl]but-1-enyl]benzamide has a molecular weight of 439.52 g/mol, XLogP of 5.32, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-4-[(Z)-4-naphthalen-1-yloxy-2-[(pyridin-3-ylamino)methyl]but-1-enyl]benzamide is sourced from PubChem (CID 11633550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).